Iron in the structure of Conformational Changes Occurring Upon Reduction in Nitrite Reductase From Pseudomonas Aeruginosa (pdb 1bl9)

The binding sites of Iron atom in the structure of Conformational Changes Occurring Upon Reduction in Nitrite Reductase From Pseudomonas Aeruginosa (pdb code 1bl9). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1bl9 structure was solved by D.NURIZZO, C.CAMBILLAU, M.TEGONI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:

Resolution (A)

12.0-2.9

Space group

P21212

a (A)

166.610

b (A)

89.000

c (A)

112.860

alpha (°)

90.00

beta (°)

90.00

gamma (°)

90.00

Rfactor (%)

21.1

Rfree (%)

23.3

Iron Binding Sites:

Iron binding site 1 out of 4 in 1bl9

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1bl9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His51, A: Met88, A: Hec601,

conact list:

Atom

Atom

Distance (A)

Fe

NE2 A:His51

2.00

Fe

ND1 A:His51

4.05

Fe

CD2 A:His51

3.15

Fe

CE1 A:His51

2.85

Fe

CG A:His51

4.21

Fe

CB A:Met88

4.16

Fe

CE A:Met88

3.49

Fe

CG A:Met88

3.63

Fe

SD A:Met88

2.28

Fe

CA A:Met88

4.71

Fe

C2D A:Hec601

4.23

Fe

NC A:Hec601

1.96

Fe

CHB A:Hec601

3.35

Fe

CHC A:Hec601

3.42

Fe

C3D A:Hec601

4.26

Fe

NA A:Hec601

1.93

Fe

CHA A:Hec601

3.38

Fe

C2A A:Hec601

4.21

Fe

C1D A:Hec601

2.98

Fe

C4A A:Hec601

2.98

Fe

C4B A:Hec601

3.02

Fe

C3A A:Hec601

4.21

Fe

C4C A:Hec601

2.98

Fe

C2B A:Hec601

4.24

Fe

C1C A:Hec601

3.04

Fe

C2C A:Hec601

4.27

Fe

ND A:Hec601

1.95

Fe

CHD A:Hec601

3.34

Fe

C1B A:Hec601

3.00

Fe

NB A:Hec601

1.97

Fe

FE A:Hec601

0.00

Fe

C3C A:Hec601

4.24

Fe

C3B A:Hec601

4.22

Fe

C4D A:Hec601

3.02

Fe

C1A A:Hec601

2.99

interactive model:

Iron binding site 2 out of 4 in 1bl9

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1bl9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His182, A: His327, A: Dhe602,

conact list:

Atom

Atom

Distance (A)

Fe

NE2 A:His182

2.02

Fe

ND1 A:His182

4.10

Fe

CD2 A:His182

3.04

Fe

CE1 A:His182

2.96

Fe

CG A:His182

4.15

Fe

CE1 A:His327

4.81

Fe

C2D A:Dhe602

4.26

Fe

NC A:Dhe602

2.07

Fe

CHB A:Dhe602

3.42

Fe

CHC A:Dhe602

3.36

Fe

C3D A:Dhe602

4.27

Fe

NA A:Dhe602

2.07

Fe

CHA A:Dhe602

3.41

Fe

C2A A:Dhe602

4.30

Fe

C1D A:Dhe602

3.05

Fe

C4A A:Dhe602

3.09

Fe

C4B A:Dhe602

3.09

Fe

C3A A:Dhe602

4.30

Fe

C4C A:Dhe602

3.07

Fe

C2B A:Dhe602

4.35

Fe

O2B A:Dhe602

5.00

Fe

C1C A:Dhe602

3.03

Fe

C2C A:Dhe602

4.32

Fe

ND A:Dhe602

2.05

Fe

CHD A:Dhe602

3.36

Fe

C1B A:Dhe602

3.06

Fe

NB A:Dhe602

2.09

Fe

FE A:Dhe602

0.00

Fe

C3C A:Dhe602

4.40

Fe

C3B A:Dhe602

4.42

Fe

C4D A:Dhe602

3.07

Fe

C1A A:Dhe602

3.09

interactive model:

Iron binding site 3 out of 4 in 1bl9

Click to enlarge

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1bl9. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: B: His51, B: Met88, B: Hec601,